CHEBI:135810 - atrasentan

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name atrasentan
ChEBI ID CHEBI:135810
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C29H38N2O6
Net Charge 0
Average Mass 510.623
Monoisotopic Mass 510.27299
InChI InChI=1S/C29H38N2O6/c1-4-6-14-30(15-7-5-2)26(32)18-31-17-23(21-10-13-24-25(16-21)37-19-36-24)27(29(33)34)28(31)20-8-11-22(35-3)12-9-20/h8-13,16,23,27-28H,4-7,14-15,17-19H2,1-3H3,(H,33,34)/t23-,27-,28+/m1/s1
InChIKey MOTJMGVDPWRKOC-QPVYNBJUSA-N
SMILES C(O)(=O)[C@H]1[C@@H](N(C[C@@H]1C2=CC3=C(C=C2)OCO3)CC(N(CCCC)CCCC)=O)C4=CC=C(C=C4)OC
ChEBI Ontology
Outgoing atrasentan (CHEBI:135810) is a pyrrolidines (CHEBI:38260)
Synonyms Sources
atrasentan HCl DrugCentral
atrasentan hydrochloride DrugCentral
Manual Xref Database
3009 DrugCentral
View more database links
Registry Number Type Source
173937-91-2 CAS Registry Number DrugCentral
Last Modified
23 February 2017